fluoranthen-8-amine

C16H11N — CID 22157

IUPACfluoranthen-8-amine
SMILESNc1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C16H11N/c17-11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)15(12)9-11/h1-9H,17H2
InChIKeySMSRNTQALUJAHQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP4.07
Rot. Bonds

About fluoranthen-8-amine

fluoranthen-8-amine (PubChem CID 22157) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is fluoranthen-8-amine.

Molecular Properties

Compound Namefluoranthen-8-amine
PubChem CID22157
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Namefluoranthen-8-amine
SMILESNc1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C16H11N/c17-11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)15(12)9-11/h1-9H,17H2
InChIKeySMSRNTQALUJAHQ-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze fluoranthen-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoranthen-8-amine?
The IUPAC name of fluoranthen-8-amine (CID 22157) is fluoranthen-8-amine.
What is the SMILES notation for fluoranthen-8-amine?
The canonical SMILES for fluoranthen-8-amine is Nc1ccc2c(c1)-c1cccc3cccc-2c13.
What is the InChIKey of fluoranthen-8-amine?
The InChIKey is SMSRNTQALUJAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c17-11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)15(12)9-11/h1-9H,17H2.
What are the key properties of fluoranthen-8-amine?
fluoranthen-8-amine has a molecular weight of 217.27 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoranthen-8-amine is sourced from PubChem (CID 22157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).